[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-6-propyl-2-(trifluoromethyl)chromen-7-yl] ethanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-6-propyl-2-(trifluoromethyl)chromen-7-yl] ethanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-2-(trifluoromethyl)chromen-7-yl] acetate CAS Name: acetic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-2-(trifluoromethyl)chromen-7-yl] acetate Traditional Name: acetic acid [3-(1,3-benzothiazol-2-yl)-4-keto-6-propyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C22H16F3NO4S MolecularWeight: 447.42695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)OC(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)OC(=O)C

InChI

InChI=1S/C22H16F3NO4S/c1-3-6-12-9-13-16(10-15(12)29-11(2)27)30-20(22(23,24)25)18(19(13)28)21-26-14-7-4-5-8-17(14)31-21/h4-5,7-10H,3,6H2,1-2H3